2,3,5-triethyl-4,6-dimethyloxane

C13H26O — CID 91375231

IUPAC2,3,5-triethyl-4,6-dimethyloxane
SMILESCCC1OC(C)C(CC)C(C)C1CC
InChIInChI=1S/C13H26O/c1-6-11-9(4)12(7-2)13(8-3)14-10(11)5/h9-13H,6-8H2,1-5H3
InChIKeyLMDOBOUMVXZCNW-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.87
Rot. Bonds3

About 2,3,5-triethyl-4,6-dimethyloxane

2,3,5-triethyl-4,6-dimethyloxane (PubChem CID 91375231) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,3,5-triethyl-4,6-dimethyloxane.

Molecular Properties

Compound Name2,3,5-triethyl-4,6-dimethyloxane
PubChem CID91375231
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,3,5-triethyl-4,6-dimethyloxane
SMILESCCC1OC(C)C(CC)C(C)C1CC
InChIInChI=1S/C13H26O/c1-6-11-9(4)12(7-2)13(8-3)14-10(11)5/h9-13H,6-8H2,1-5H3
InChIKeyLMDOBOUMVXZCNW-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464
(2S,4S,5R)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 59046301
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2S,3R,5S)-5-ethyl-3,4-dimethyloxolan-2-ol
CID 59063589
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
1,3-dimethylcyclobutane;2,3-dimethyloxirane;2-ethyl-3-methyloxirane
CID 159309218

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triethyl-4,6-dimethyloxane?
The IUPAC name of 2,3,5-triethyl-4,6-dimethyloxane (CID 91375231) is 2,3,5-triethyl-4,6-dimethyloxane.
What is the SMILES notation for 2,3,5-triethyl-4,6-dimethyloxane?
The canonical SMILES for 2,3,5-triethyl-4,6-dimethyloxane is CCC1OC(C)C(CC)C(C)C1CC.
What is the InChIKey of 2,3,5-triethyl-4,6-dimethyloxane?
The InChIKey is LMDOBOUMVXZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-11-9(4)12(7-2)13(8-3)14-10(11)5/h9-13H,6-8H2,1-5H3.
What are the key properties of 2,3,5-triethyl-4,6-dimethyloxane?
2,3,5-triethyl-4,6-dimethyloxane has a molecular weight of 198.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triethyl-4,6-dimethyloxane is sourced from PubChem (CID 91375231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).